Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL263080 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDCYP3A4TP53 | |
| SCHEMBL5591009 | 0.88 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4TP53CYP2D6 | |
| SCHEMBL7186378 | 0.81 | ALDH1A1 (0.66) | ALDH1A1TSHRCYP3A4TP53SMN1; SMN2 | |
| SCHEMBL599935 | 0.81 | ALDH1A1 (0.40) | ALDH1A1TSHRHPGDCYP3A4TP53 | |
| Hexane SCHEMBL28284072 | 0.81 | ALDH1A1 (0.83) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL11093313 | 0.81 | ALDH1A1 (0.61) | ALDH1A1TSHRHPGDTDP1CYP3A4 | |
| SCHEMBL1499202 | 0.81 | ALDH1A1 (0.61) | ALDH1A1TSHRHPGDTDP1CYP3A4 | |
| SCHEMBL221053 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TSHRHPGDTDP1CYP3A4 | |
| SCHEMBL2290619 | 0.79 | TSHR (0.46) | ALDH1A1TSHRHPGDCYP3A4 | |
| SCHEMBL3802017 | 0.79 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4TP53CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120196064-A1 | TOUGHENED POLYTRIMETHYLENE BENZENEDICARBOXYLATE RESIN COMPOSITION | E.I.DU PONT DE NEMOURS AND COMPANY (US) | 2012-08-02 | — | — | US | disclosed |
| EP-2459646-A2 | TOUGHENED POLYTRIMETHYLENE TEREPHTHALATE RESIN COMPOSITION | E. I. du Pont de Nemours and Company (US) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011014646-A2 | TOUGHENED POLYTRIMETHYLENE TEREPHTHALATE RESIN COMPOSITION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-02-03 | — | — | WO | disclosed |